N-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide

C19H15BrN4O2 — CID 135833515

IUPACN-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O
InChIInChI=1S/C19H15BrN4O2/c1-11-8-12(20)6-7-15(11)22-17(25)10-24-19(26)18-14(9-21-24)13-4-2-3-5-16(13)23-18/h2-9,23H,10H2,1H3,(H,22,25)
InChIKeyVLQTVFODFUVOAK-UHFFFAOYSA-N
MW411.26 g/mol
LogP3.59
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide

N-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (PubChem CID 135833515) has the molecular formula C19H15BrN4O2 and a molecular weight of 411.26 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
PubChem CID135833515
Molecular FormulaC19H15BrN4O2
Molecular Weight411.26 g/mol
Exact Mass410.04
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O
InChIInChI=1S/C19H15BrN4O2/c1-11-8-12(20)6-7-15(11)22-17(25)10-24-19(26)18-14(9-21-24)13-4-2-3-5-16(13)23-18/h2-9,23H,10H2,1H3,(H,22,25)
InChIKeyVLQTVFODFUVOAK-UHFFFAOYSA-N
XLogP3.59
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833616
N-(2-bromo-4-methylphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550937
N-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135410384
N-(2,5-dimethoxyphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833532
N-(3-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833575
N-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833566
2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 135833535
N-(3,4-dimethoxyphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833508
N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550947
N-(2-ethoxyphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550982
N-(2,4-dimethoxyphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550942
2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 135551045

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (CID 135833515) is N-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is Cc1cc(Br)ccc1NC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The InChIKey is VLQTVFODFUVOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O2/c1-11-8-12(20)6-7-15(11)22-17(25)10-24-19(26)18-14(9-21-24)13-4-2-3-5-16(13)23-18/h2-9,23H,10H2,1H3,(H,22,25).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
N-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide has a molecular weight of 411.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is sourced from PubChem (CID 135833515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).